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Compound Summary

General Compound Information

(E)-beta-damascone

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Description

Beta-damascone is a member of the class of compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. Beta-damascone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Beta-damascone is an apple, berry, and blackcurrant tasting compound found in tea, which makes beta-damascone a potential biomarker for the consumption of this food product. Beta-damascone exists in all eukaryotes, ranging from yeast to humans. Damascones are a series of closely related chemical compounds that are components of a variety of essential oils. The damascones belong to a family of chemicals known as rose ketones, which also includes damascenones and ionones. beta-Damascone is a contributor to the aroma of roses, despite its relatively low concentration, and is an important fragrance chemical used in perfumery .

Synonyms

23726-91-2; 245-842-1; E-beta-damascone; damascone; (E)-beta-Damascone;

2376-92-3;(E)-1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one;4-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-one;b-damascone;1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one;2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-;DTXSID7051890;2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-;I75J0X33Q6;1-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-1-one;1-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-2-en-1-one;(2E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one;(E)-1-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-2-en-1-one;Rose dihydroketone;(E)-1-(2,6,6-trimethylcyclohex-1-enyl)but-2-en-1-one;Damasione;FEMA 3243;MFCD00661756;trans-beta-Damascone;beta-Damascone, (E)-;EINECS 245-842-1;BRN 2046078;UNII-J131X1Y3RE;UNII-I75J0X33Q6;.beta.-Damascone;damascone (e-beta-);(E)-1-(2,6,6-Trimethylcyclohex-1-enyl)-2-buten-1-one;(E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one;2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-;EC 245-842-1;SCHEMBL128464;(E)-.BETA.-DAMASCONE;TRANS-.BETA.-DAMASCONE;J131X1Y3RE;CHEMBL4565078;DTXCID50210415;.BETA.-DAMASCONE, TRANS-;CHEBI:192137;.BETA.-DAMASCONE, (E)-;4-(2.6.6-TRIMETHYL CYCLOHEX-1-ENYL)-BUT-2-EN-4-ONE;FEMA NO. 3243, E-;Tox21_304045;2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYLCYCLOHEX-1-ENYL)-, (E)-;HY-N10013;STL570067;AKOS006228373;ZINC100042658;beta-Damascone, >=95%, sum of isomers;NCGC00357252-01;beta-Damascone, technical, >=90% (GC);3,4-Dihydro-3,4,7-megastigmatrien-7-one;CAS-23726-91-2;2,6,6-Trimethyl-1-crotonoyl-1-cyclohexene;CS-0253684;trans-2,6,6-trimethyl-1-crotonoyl-1-cyclohexene;(E)-beta-Damascone 1000 microg/mL in Acetonitrile;Q1051071;1-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-2-en-1-one;TRANS-2,6,6-TRIMETHYL-1-CROTONYLCYCLOHEX-1-ENE;(E)-1-(2,6,6-trimethyl-1-cyclohexenyl)-but-2-en-1-one;4-(2.6.6-TRIMETHYLCYCLOHEX-1-ENYL)-BUT-2-EN-4-ONE;3-Buten-1-one, 4-[2,6,6-trimethyl-1(or 2)-cyclohexen-1-yl]-;

FlavorDB ID

3162

PUBCHEM ID

5374527

Molecular Weight

192.3

Molecular Formula

C13H20O

Openeye Can Smiles

CC=CC(=O)C1=C(CCCC1(C)C)C

IUPAC Inchikey

BGTBFNDXYDYBEY-FNORWQNLSA-N

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Compound Classification

Classification (Parent Nodes)

ClassyFire Ontology

Compound Quality

Quality information of this compound is not available!

Compound Toxicity

Toxicity and Food Additive Safety of this compound is not available!

Receptors

Receptor	REFERENCE	EC50 [µM]	Effective Concentration [µM]
OR1A1	details	Activated
OR5K1	details	Activated

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive